test_similarities.py 文件源码

def test_fpneigh2tsv_run():
    fpneigh_in = '''Compounds similar to 2mlm_2W7_frag1:
2mlm_2W7_frag1   1.0000
2mlm_2W7_frag2   0.5877
Compounds similar to 2mlm_2W7_frag2:
2mlm_2W7_frag2   1.0000
3wvm_STE_frag1   0.4633
'''
    inputfile = StringIO(fpneigh_in)

    outputfile = StringIO()

    script.fpneigh2tsv_run(inputfile, outputfile)

    expected = '''frag_id1\tfrag_id2\tscore
2mlm_2W7_frag1\t2mlm_2W7_frag2\t0.5877
2mlm_2W7_frag2\t3wvm_STE_frag1\t0.4633
'''
    assert outputfile.getvalue() == expected